2,2-bis[bis(fluoranyl)methyl]-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazine

Systemtic Name: 2,2-bis[bis(fluoranyl)methyl]-6-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)-3H-1,4-benzoxazine Openeye Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine CAS Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxido-2-pyridin-1-iumyl)-3H-1,4-benzoxazine IUPAC Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Traditional Name: 2,2-bis(difluoromethyl)-6-nitro-4-(1-oxidopyridin-1-ium-2-yl)-3H-1,4-benzoxazine Formula: C15H11F4N3O4 MolecularWeight: 373.259153

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=C(N1C3=CC=CC=[N+]3[O-])C=C(C=C2)[N+](=O)[O-])(C(F)F)C(F)F

Isomeric SMILES

C1C(OC2=C(N1C3=CC=CC=[N+]3[O-])C=C(C=C2)[N+](=O)[O-])(C(F)F)C(F)F

InChI

InChI=1S/C15H11F4N3O4/c16-13(17)15(14(18)19)8-20(12-3-1-2-6-21(12)23)10-7-9(22(24)25)4-5-11(10)26-15/h1-7,13-14H,8H2